2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide

C16H16N4OS — CID 110222101

IUPAC2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide
SMILESO=C(Cn1cccn1)NC(Cc1ccsc1)c1cccnc1
InChIInChI=1S/C16H16N4OS/c21-16(11-20-7-2-6-18-20)19-15(9-13-4-8-22-12-13)14-3-1-5-17-10-14/h1-8,10,12,15H,9,11H2,(H,19,21)
InChIKeySJYWTRKLDYXSQB-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.44
Rot. Bonds6

About 2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide

2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide (PubChem CID 110222101) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide.

Molecular Properties

Compound Name2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide
PubChem CID110222101
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide
SMILESO=C(Cn1cccn1)NC(Cc1ccsc1)c1cccnc1
InChIInChI=1S/C16H16N4OS/c21-16(11-20-7-2-6-18-20)19-15(9-13-4-8-22-12-13)14-3-1-5-17-10-14/h1-8,10,12,15H,9,11H2,(H,19,21)
InChIKeySJYWTRKLDYXSQB-UHFFFAOYSA-N
XLogP2.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-pyridin-3-yl-2-thiophen-3-ylethyl]pyrimidine-5-carboxamide
CID 92570534
N-methyl-1-pyridin-3-yl-2-thiophen-3-ylethanamine
CID 61077665
5-ethyl-2,4-dimethyl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)pyrazole-3-carboxamide
CID 110222100
2-[(4R)-1-cyclohexyl-2,5-dioxoimidazolidin-4-yl]-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]acetamide
CID 92570518
N-[(1S)-1-pyridin-2-yl-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 92577329
N-[(1R)-1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 92562309
cis-(1R,3S)-3-methoxy-N-[(1S)-1-pyridin-3-yl-2-thiophen-3-ylethyl]cyclohexane-1-carboxamide
CID 92610648
2-imidazol-1-yl-N-[1-(3-methyl-2-pyridinyl)-2-thiophen-3-ylethyl]acetamide
CID 110222226
N-[2-phenyl-1-(3-phenyl-2-pyridinyl)ethyl]-2-pyrazol-1-ylacetamide
CID 162471132
N-(3,3-dimethyl-1-pyridin-3-ylbutyl)-4-pyrazol-1-ylbutanamide
CID 135110911
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 110222036
(1-pyridin-3-yl-3-thiophen-3-ylpropyl)hydrazine
CID 105196206

Frequently Asked Questions

What is the IUPAC name of 2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide?
The IUPAC name of 2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide (CID 110222101) is 2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide.
What is the SMILES notation for 2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide?
The canonical SMILES for 2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide is O=C(Cn1cccn1)NC(Cc1ccsc1)c1cccnc1.
What is the InChIKey of 2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide?
The InChIKey is SJYWTRKLDYXSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c21-16(11-20-7-2-6-18-20)19-15(9-13-4-8-22-12-13)14-3-1-5-17-10-14/h1-8,10,12,15H,9,11H2,(H,19,21).
What are the key properties of 2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide?
2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide has a molecular weight of 312.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrazol-1-yl-N-(1-pyridin-3-yl-2-thiophen-3-ylethyl)acetamide is sourced from PubChem (CID 110222101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).